Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
TL;DR: Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- (CAS 101859-04-5) is a chemical compound with molecular formula C19H22Cl2O5 and molecular weight 400.08444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,5aR,9aS)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
Also Known As: Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-, [(1R,4R,5S,7S)-4-formyloxy-6-oxabicyclo[5.4.0]undec-5-yl]methyl 2,4-dichlorobenzoate, [(2S,3R,5aR,9aS)-3-(Formyloxy)decahydro-1-benzoxepin-2-yl]methyl 2,4-dichlorobenzoate, [(2S,3R,5aR,9aS)-3-formyloxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate
Technical Specifications
| Molecular Formula | C19H22Cl2O5 |
| Molecular Weight | 400.08444 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.08444 Da |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
| SMILES | C1CC[C@H]2[C@H](C1)CC[C@H]([C@@H](O2)COC(=O)C3=C(C=C(C=C3)Cl)Cl)OC=O |
| InChIKey | TWDSQINFZCXWJJ-IUHNQTRMSA-N |
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
Property Insights of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
The XLogP value of 5.1 indicates that Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-?
The CAS number of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- is 101859-04-5.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-?
The molecular formula of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- is C19H22Cl2O5.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-?
The molecular weight of Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- is 400.08444 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-?
You can request a quote for Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.